(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone

C15H21BrN2O2 — CID 114506286

IUPAC(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCCC1CN(C(=O)c2ccc(Br)cc2O)CCC1NC
InChIInChI=1S/C15H21BrN2O2/c1-3-10-9-18(7-6-13(10)17-2)15(20)12-5-4-11(16)8-14(12)19/h4-5,8,10,13,17,19H,3,6-7,9H2,1-2H3
InChIKeyLAAFBNYCRBUGDT-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.61
Rot. Bonds3

About (4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone

(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 114506286) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID114506286
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCCC1CN(C(=O)c2ccc(Br)cc2O)CCC1NC
InChIInChI=1S/C15H21BrN2O2/c1-3-10-9-18(7-6-13(10)17-2)15(20)12-5-4-11(16)8-14(12)19/h4-5,8,10,13,17,19H,3,6-7,9H2,1-2H3
InChIKeyLAAFBNYCRBUGDT-UHFFFAOYSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-hydroxyphenyl)-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
CID 114509849
[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114506541
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251111
(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662371
(2-ethoxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506351
(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 107721232
(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62084706
[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone
CID 114506512
(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506517
[3-ethyl-4-(methylamino)piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114506404
(4-bromo-2-hydroxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427467

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone (CID 114506286) is (4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone is CCC1CN(C(=O)c2ccc(Br)cc2O)CCC1NC.
What is the InChIKey of (4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is LAAFBNYCRBUGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-10-9-18(7-6-13(10)17-2)15(20)12-5-4-11(16)8-14(12)19/h4-5,8,10,13,17,19H,3,6-7,9H2,1-2H3.
What are the key properties of (4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 341.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 114506286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).